trans-Carane
PubChem CID: 12302439
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| Compound Synonyms | trans-Carane, Carane, trans-, 3,7,7-Trimethylbicyclo[4.1.0]heptane #, DTXSID90881209, BWRHOYDPVJPXMF-XHNCKOQMSA-N, 18968-23-5, NS00096297, Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-, (1.beta.,3.beta.,6.beta.)-, Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-, (1alpha,3alpha,6alpha)-, Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-, (1.alpha.,3.alpha.,6.alpha.)- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 146.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptane |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C10H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BWRHOYDPVJPXMF-XHNCKOQMSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.195 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.715 |
| Compound Name | trans-Carane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 138.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1541748 |
| Inchi | InChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m0/s1 |
| Smiles | C[C@H]1CC[C@H]2[C@@H](C1)C2(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients